2-[[4-[(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)oxy]cyclohexyl]amino]ethanoic acid

Systemtic Name: 2-[[4-[(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)oxy]cyclohexyl]amino]ethanoic acid Openeye Name: 2-[[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]cyclohexyl]amino]acetic acid CAS Name: 2-[[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]cyclohexyl]amino]acetic acid IUPAC Name: 2-[[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]cyclohexyl]amino]acetic acid Traditional Name: 2-[[4-[(7-chloro-1-keto-2H-isoquinolin-6-yl)oxy]cyclohexyl]amino]acetic acid Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC(=O)O)OC2=C(C=C3C(=C2)C=CNC3=O)Cl

Isomeric SMILES

C1CC(CCC1NCC(=O)O)OC2=C(C=C3C(=C2)C=CNC3=O)Cl

InChI

InChI=1S/C17H19ClN2O4/c18-14-8-13-10(5-6-19-17(13)23)7-15(14)24-12-3-1-11(2-4-12)20-9-16(21)22/h5-8,11-12,20H,1-4,9H2,(H,19,23)(H,21,22)